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The focus of this excellent textbook is the topic of molecular reaction dynamics. The chapters are all written by internationally recognised researchers and, from the outset, the contributors are writing with the young scientist in mind. The easy to use, stand-alone, chapters make it of value to students, teachers, and researchers alike. Subjects covered range from the more traditional topics, such as potential energy surfaces, to more advanced and rapidly developing areas, such as femtochemistry and coherent control. The coverage of reaction dynamics is very broad, so many students studying chemical physics will find elements of this text interesting and useful. Tutorials in Molecular Reaction Dynamics includes extensive references to more advanced texts and research papers, and a series of'Study Boxes'help readers grapple with the more difficult concepts. Each chapter is thoroughly cross-referenced, helping the reader to link concepts from different branches of the subject. Worked problems are included, and each chapter concludes with a selection of problems designed to test understanding of the subjects covered. Supplementary reading material, and worked solutions to the problems, are contained on a secure website.

Once considered an inert element, gold has recently gained attention as a catalyst. With hundreds of papers being published each year, this book presents a comprehensive review of this rapidly-evolving field, with contributions by leading experts across the globe. Going through the chapters citing the primary literature, the reader will gain a thorough background to the use of gold in catalysis, as well as the latest methods for the preparation of gold catalysts. Other chapters demonstrate the characterisation and modelling of gold-catalysed reactions, with consideration given to both the fundamentals and commercial applications of this emerging group of catalysts. Written to be accessible by postgraduates and newcomers to the field, this book will also benefit experienced researchers and therefore be an essential reference in the laboratory.

CHEMISTRY STUDENT GUIDES. GUIDED BY STUDENTS For any student who has ever struggled with a mathematical understanding of chemistry, this book is for you. Mathematics is the essential tool for physical scientists. We know that confidence in using mathematics early on in a chemistry degree builds a solid foundation for further study. However, applying the abstract mathematics taught in schools to chemical phenomena is one of the biggest challenges that chemistry students face. In this book, we take a ‘chemistry-first'approach. We link the mathematics to recognisable chemical concepts, building on high school chemistry, to facilitate deeper understanding. We cover the practical mathematical skills, including representation of data as tables and graphs, and give an overview of error handling in the physical sciences. More advanced mathematical concepts are introduced, using calculus to determine kinetic rate laws, intermolecular forces and in quantifying energetic change in thermodynamics. We also introduce the concept of the complex number and its role in considering quantum wave functions, widely used in computational chemistry. There are worked examples and problem sets to provide plenty of practise material to build proficiency. We also include insights from real students, which identify common problem areas and provide the prompts that helped them to overcome these. Chemistry Student Guides are written with current students involved at every stage, guiding the books towards the most challenging aspects of the topic.

Chemical formulation can be traced back to Stone Age times, when hunter-gatherers attached flint arrowheads to shafts using a resin made from birch bark and beeswax. Today, formulated preparations are part of everyday life. Formulations based on surfactants are by far the most prolific, from shampoos and shower gels to emulsion paint and polishes. This book discusses the chemical technology of surfactants and related chemicals, using over forty examples of everyday products. Some basic theory on surface chemistry, molecular interactions and surfactant function is included to aid understanding. Chemical Formulation: An Overview of Surfactant-based Preparations Used in Everyday Life then goes on to look at wider aspects such as surfactant manufacture, raw materials, environment, sustainability, analysis and testing. Throughout, common chemical names are used for formulation chemicals, further aiding the readability of the book. Bridging the gap between theory and application, this book will be invaluable to anyone wishing to broaden their knowledge of applied chemistry, including students on A level, BTEC and technician courses. It will also be of benefit to those new to the formulation industry.

The field of aromatic interactions, the fundamental nature of substituent effects and the identification of contacts between anions and aromatic systems have generated stimulating arguments in recent years. New theoretical frameworks have been developed and tested and aromatic interactions have emerged as potential solutions for varied problems in biology and materials science. This book provides a wide ranging survey of the latest findings and advances surrounding aromatic interactions, stretching from the fundamentals to modern applications in synthesis, biology and materials chemistry. It also discusses computational, experimental and analytical approaches to understanding these interactions, including pi-pi, anion-pi, and cation-pi interactions. Aromatic Interactions: Frontiers in Knowledge and Application is a useful text for advanced students and researchers, and appeals to those working within the fields of supramolecular chemistry, computational chemistry and thermodynamics.

An amphiphile is a molecule that contains a hydrophilic part and a hydrophobic part, linked by covalent bonding. Supramolecular amphiphiles (supra-amphiphiles) are amphiphiles linked by non-covalent interactions. As they employ non-covalent interactions, these species demonstrate adaptability and reversibility in conformational transformation, making them one of the most important emerging species in supramolecular chemistry. They have proven important in bridging the gap between molecular architecture and functional assembly.This book is written and edited by the current leaders in the topic and contains a foreword from Professor Jean-Marie Lehn, a father of the supramolecular chemistry field. Bringing together supramolecular chemistry and colloidal and interfacial science, the book provides a detailed and systematic introduction to supramolecular amphiphiles. Chapters explain how to employ non-covalent interactions to fabricate supra-amphiphiles. The book opens with an introduction to the history and development of the field, followed by chapters focussing on each type of interaction, including host-guest interaction, electrostatic interaction, charge-transfer interaction, hydrogen bonding and dynamic covalent bonds.This book will be a valuable resource for students new to this field and experienced researchers wanting to explore the wider context of their work.

Providing the reader with an up to date digest of the most important research currently carried out in the field, Electrochemistry Volume 14 is compiled and written by leading experts from across the globe. Coverage includes chapters on the use of metal organic frameworks as a precursor for electrocatalytic centre supports to enhance the oxygen reduction process in low temperature fuel cell systems, electrocatalysis for ethanol electrooxidation in alkaline media, and new polymer electrolyte and electrocatalysts for direct alcohol fuel cells. This volume is a key reference for researchers providing a timely overview of this exciting and developing area.

Semiconducting polymers are of great interest for applications in electroluminescent devices, solar cells, batteries and diodes. In recent years vast advances have been made in the area of controlled synthesis of semiconducting polymers, specifically polythiophenes. The book is separated into two main sections, the first will introduce the advances made in polymer synthesis, and the second will focus on the microstructure and property analysis that has been enabled because of the recent advances in synthetic strategies.Edited by one of the leaders in the area of polythiophene synthesis, this new book will bring the field up to date with more recent models for understanding semiconducting polymers. The book will be applicable to materials and polymers chemists in industry and academia from postgraduate level upwards.

The objective of this book is to integrate information about the theory, preparation and applications of non-wettable surfaces in one volume. By combining the discussion of all three aspects together the editors will show how theory assists the development of preparations methods and how these surfaces can be applied to different situations. The book is separated into three sections, first covering the theory, then going on to preparation of these surfaces and finally discussing the applications in detail. Edited by two of the most innovative contributors to the field of superhydrophobicity, this book will be essential reading for materials scientists interested in any aspect of surface, colloid and polymer science, thermodynamics, superhydrophobic and superhygrophobic surfaces.

Supramolecular chemistry provides a versatile approach for modifying the structure and function of surfaces, including the formation of clusters, monolayers and films. This can be used in a variety of applications from porous surface systems, to modifiers of interface energy and sensor-based systems. Supramolecular Chemistry at Surfaces covers different methods of preparing and studying self-assembled structures at surfaces and interfaces. The book starts with a general introduction concerning the nature of surfaces followed by specific sections discussing different techniques to characterise surface-based supramolecular systems. Each chapter then goes on to address different surface systems including the surface of water; physisorbed layers at interfaces; chemisorbed layers at interfaces; polyelectrolyte systems; thin films; dynamic systems; and patterning. Written by a leading expert in the field, this is the first book to give a multidisciplinary view of the supramolecular aspects of interfaces providing the reader with an objective summary of all the deposition methods and their characterisation. The book will appeal to students and researchers in supramolecular chemistry, nanoscience, polymer chemistry and physics, surface science and materials science.

This book is an appealing, concise, and factual account of the chemistry of the solar system. It includes basic facts about the chemical composition of the different bodies in the solar system, the major chemical processes involved in the formation of the Sun, planets, and small objects, and the chemical processes that determine their current chemical make-up. The book summarizes compositional data but focuses on the chemical processes and where relevant, it also emphasizes comparative planetology. There are numerous informative summary tables which illustrate the similarities (or differences) that help the reader to understand the processes described. Data is presented in graphical form which is useful for identifying common features of the major processes that determine the current chemical state of the planets. The book will interest general readers with a background in chemistry who will enjoy reading about the chemical diversity of the solar system's objects. It will serve as an introductory textbook for graduate classes in planetary sciences but will also be very popular with professional researchers in academia and government, college professors, and postgraduate fellows.

Volumetric properties play an important role in research at the interface of physical chemistry and chemical engineering, but keeping up with the latest developments in the field demands a broad view of the literature. Presenting a collection of concise, focused chapters, this book offers a comprehensive guide to the latest developments in the field and a starting point for more detailed research. The chapters are written by acknowledged experts, covering theory, experimental methods, techniques, and results on all types of liquids and vapours. The editors work at the forefront of thermodynamics in mixtures and solutions and have brought together contributions from all areas related to volume properties, offering a synergy of ideas across the field. Graduates, researchers and anyone working in the field of volumes will find this book to be their key reference.

There has been much scientific interest in the behaviour of colloidal particles at liquid interfaces. From a research aspect they provide model systems for fundamental studies of condensed matter physics. From a commercial aspect they provide applications for making new materials in the cosmetics, food and paint industries. In many cases of colloidal particles at interfaces, the mechanism of particle interactions is still unknown. Particle-Stabilized Emulsions and Colloids looks at recent studies on the behaviour of particles at liquid interfaces. The book first introduces the basic concepts and principles of colloidal particles at liquid-liquid interfaces including the interactions and conformations. The book then discusses the latest advances in emulsions and bicontinuous emulsions stabilized by both solid and soft particles and finally the book covers applications in food science and oil extraction. With contributions from leading experts in these fields, this book will provide a background to academic researchers, engineers, and graduate students in chemistry, physics and materials science. The commercial aspects will also be of interest to those working in the cosmetics, food and oil industry.

The Specialist Periodical Report Electrochemistry presents comprehensive and critical reviews in all aspects of the field, with contributions from across the globe, providing the reader with an informed digest of the most important research currently carried out in this field. Re-launching in 2015 with a new editorial team, Volume 13 returns to its roots and provides a wide range of topics written by leading experts researching at the forefront and heart of electrochemistry. The book covers topics such as control and structural analysis, and combines different approaches on utilizing light as a source for materials science. This volume is a key reference in the field of electrochemistry, allowing readers to become easily acquainted with the latest research trends.

The reaction rate constant plays an essential role a wide range of processes in biology, chemistry and physics. Calculating the reaction rate constant provides considerable understanding to a reaction and this book presents the latest thinking in modern rate computational theory. The editors have more than 30 years'experience in researching the theoretical computation of chemical reaction rate constants by global dynamics and transition state theories and have brought together a global pool of expertise discussing these in a variety of contexts and across all phases. This thorough treatment of the subject provides an essential handbook to students and researchers entering the field and a comprehensive reference to established practitioners across the sciences, providing better tools to determining reaction rate constants.

Computational Quantum Chemistry presents computational electronic structure theory as practised in terms of ab initio waveform methods and density functional approaches. Getting a full grasp of the field can often prove difficult, since essential topics fall outside of the scope of conventional chemistry education. This professional reference book provides a comprehensive introduction to the field. Postgraduate students and experienced researchers alike will appreciate Joseph McDouall's engaging writing style. The book is divided into five chapters, each providing a major aspect of the field. Electronic structure methods, the computation of molecular properties, methods for analysing the output from computations and the importance of relativistic effects on molecular properties are also discussed. Links to the websites of widely used software packages are provided so that the reader can gain first hand experience of using the techniques described in the book.

Chemical Modelling: Applications and Theory comprises critical literature reviews of all aspects of molecular modelling. Molecular modelling in this context refers to modelliing the structure, properties and reactions of atoms, molecules and materials. Each chapter provides a selective review of recent literature, incorporating sufficient historical perspective for the non-specialist to gain an understanding. With chemical modelling covering such a wide range of subjects, this Specialist Periodical Report serves as the first port of call to any chemist, biochemist, materials scientist or molecular physicist needing to acquaint themselves with major developments in the area.

Photochemistry reviews photo-induced processes that have relevance to the above wide-ranging academic and commercial desciplines, and interests in chemistry, physics, biology and technology. In order to provide easy access to this vast and varied literature, Photochemistry comprises sections sub-divided by chromophore and reaction type, and also a comprehensive section on polymer photochemistry. Throughout emphasis is placed on useful applications of photochemistry. Specialist Periodical Reports provide systematic and detailed review coverage in major areas of chemical research and are compiled by teams of leading experts - a unique service for the active research chemist.

This book brings together drug design practitioners, all leaders in their field, who are actively advancing the field of quantitative methods to guide drug discovery, from structure-based design to empirical statistical models - from rule-based approaches to toxicology to the fields of bioinformatics and systems biology. The aim of the book is to show how various facets of the drug discovery process can be addressed in a quantitative fashion (ie: numerical analysis to enable robust predictions to be made). Each chapter includes a brief review of the topic showing the historical development of quantitative approaches, a survey/summary of the current state-of-the-art, a selection of well chosen examples with some worked through and an appreciation of what problems remain to be overcome as well as an indication of how the field may develop. After an overview of quantitative approaches to drug design the book describes the development of concepts of'drug-like properties', of quantitative structure-activity relationships and molecular modelling, and in particular, structure-based design approaches to guide lead optimisation. How to manage and describe chemical structures, underpins all quantitative approaches to drug design and these are described in the following chapters. The next chapter covers the value of a quantitative approach, and also the challenge which is to describe the confidence in any prediction, and methods to assess predictive model quality. The later chapters describe the application of quantitative approaches to describing and optimising potency, selectivity, drug metabolism and pharmacokinetic properties and toxicology, and the design of chemical libraries to feed the screening approaches to lead generation that underpin modern drug discovery. Finally the book describes the impact of bioinformatics, current status of predicting ligand affinity direct from the protein structure, and the application of quantitative approaches to predicting environmental risk. The book provides a summary of the current state-of-the-art in quantitative approaches to drug design, and future opportunities, but it also provides inspiration to drug design practitioners to apply careful design, to make best use of the quantitative methods that are available, while continuing to improve them. Drug discovery still relies heavily on random screening and empirical screening cascades to identify leads and drugs and the process has many failures to deliver only a small handful of drugs. With the rapidly escalating costs of drug discovery and development together with spiralling delivery, quantitative approaches hold the promise of shifting the balance of success, to enable drug discovery to maintain its economic viability.

This book documents the latest research into the theory and application of force-fields, semi-empirical molecular orbital, density functional and ab initio calculations, Quantum Mechanical (QM) based modelling, Atoms in Molecules (AIM) approach, and biomolecular dynamics. It also covers theory and application of 2D cheminformatics, QSAR/QSPR, ADME properties of drugs, drug docking/scoring protocols and approaches, topological methodology, and modelling accurate inhibition constants of enzymes. Finally, the book gives the theory and applications of multiscale modelling of proteins and biomolecular systems. The information need for a book in this area is due to the continuing rapid advance of firstly theoretical approaches, secondly software/hardware and lastly the successful application of the technology and this book fills a gap in the literature. The co-editors have extensive experience of teaching and researching in the field and the book includes contributions from cutting-edge academic and industrial researchers in their respective fields. It is essential reading for medicinal chemists, computational chemists and those in the pharmaceutical industry.

Chemical Modelling: Applications and Theory comprises critical literature reviews of all aspects of molecular modelling. Molecular modelling in this context refers to modelliing the structure, properties and reactions of atoms, molecules and materials. Each chapter provides a selective review of recent literature, incorporating sufficient historical perspective for the non-specialist to gain an understanding. With chemical modelling covering such a wide range of subjects, this Specialist Periodical Report serves as the first port of call to any chemist, biochemist, materials scientist or molecular physicist needing to acquaint themselves with major developments in the area.

P-stereogenic ligands were among the first to be used in asymmetric catalysis but synthetic difficulties and prejudices have hampered their development. However, continuous screening for new chiral ligands means that they can no longer be ignored and this rigorous reference source reflects their renaissance. The book is filled with many examples from recent primary literature. The synthetic chemist will easily be able to follow the preparation methods which are accompanied by a description of the challenges and limitations. Those working in homogenous catalysis, and wanting to increase their repertoire of ligands, will be able to establish which have already been used in each reaction and their performance. This book provides comprehensive coverage of the application of P-stereogenic ligands in homogeneous catalysis. It begins with a brief chapter on generalities of P-stereogenic compounds: history, configurational stability, and interconversions among them.The book then goes on to describe the main preparative methods, from resolution of racemates to enantioselective catalysis, before focusing on the catalytic applications of P-stereogenic ligands. Chapter 7 describes the use of the ligands in catalytic hydrogenation and related reactions whereas chapter 8 deals with other reactions, mainly C-C bond forming reactions. The aim of these two final chapters is to give an outline of the usefulness of the ligands in homogeneous catalysis.

'Chromic phenomena, or those produced by materials which exhibit colour in response to a chemical or physical stimulus, have increasingly been at the heart of'high-tec'developments in a variety of fields in the last decade. Many of the newer technologies, which are at the cutting edge of research, are multi-disciplinary, involving researchers from areas as diverse as physics, biology, materials science and electronic engineering. Chromic Phenomena covers five main areas: • Colour change materials, such as photochromic, thermochromic and electrochromic materials • Materials which absorb and reflect light - the classical dyes and pigments • Luminescent phenomena, including phosphorescence, fluorescence and electroluminescence • Materials which absorb light and transfer energy, eg photosensitisers, infra-red absorbers and laser-addressable compounds • Phenomena involving the manipulation of light by chemicals, such as liquid crystals, lustre pigments, optoelectronics and photonics Providing an entry point both for new researchers and for established ones, this book, with its emphasis on the technological applications of these chromic phenomena, develops and investigates new applications for colour chemistry. It will be of interest to industrialists and professionals in the biological, medicinal, electronics/telecommunications and colorant industries, as well as academics in these fields.'

Chemical Modelling: Applications and Theory comprises critical literature reviews of all aspects of molecular modelling. Molecular modelling in this context refers to modelliing the structure, properties and reactions of atoms, molecules and materials. Each chapter provides a selective review of recent literature, incorporating sufficient historical perspective for the non-specialist to gain an understanding. With chemical modelling covering such a wide range of subjects, this Specialist Periodical Report serves as the first port of call to any chemist, biochemist, materials scientist or molecular physicist needing to acquaint themselves with major developments in the area.

Presently there is no single publication available which covers the topics related to photovoltaic (PV) or photovoltaic thermal (PV/T) technologies, thermal modelling, CO2 mitigation and carbon trading. This book disseminates the current knowledge in the fundamentals of solar energy, photovoltaic (PV) or photovoltaic thermal (PV/T) technologies, energy security and climate change and is aimed at undergraduate and postgraduate students and professionals. The main emphasis of the book is on the design, construction, performance and application of PV and PV/T from the electricity and thermal standpoint. Hot topics covered in the book include: energy security of a nation, climate change, CO2 mitigation and carbon credit earned by using PV or PV/T technologies (Carbon Trading). This information will prove helpful in filling the gap between the researchers and professionals working on the application of photovoltaic and global climate change. It also covers economic, cost effective and sustainable aspects of photovoltaic technologies. The book gives a detailed history of the new technological developments in PV/T systems worldwide with system photographs and references and elaborates on the fundamentals of hybrid systems and their performances with thermal modelling. Energy and exergy analysis, techno-economic analysis and carbon trading are key chapters for research professionals. The book also includes important case studies to aid understanding of the subject for all readers.

Nanochemistry offers the unique chance to work with almost all the elements of the periodic system to try to solve problems with new materials in architecture, medicine and electronics. This book draws together the published material on nanochemistry from 2005-2008, choosing each important element of the periodic table, summarising relevant general properties and then detailing the findings. Coverage is aimed at materials researchers and the authors intend to bring the reader up-to-date with information which could alter the use of materials in an industry setting.

This book aims to understand the main aspects of non-covalent chemistry (mainly in the gas phase) and specifically compares the experimental and theoretical data available for non-covalent complexes and subsequent problems associated with this comparison. The book is authored by an experimentalist (KMD) and theorist (PH), and their main philosophy in writing together is that any book on non-covalent interactions cannot be limited either to theory or experiment. Both approaches are nowadays so closely connected that one cannot exist without the other and vice versa and their mutual connection provides the consistent description of non-covalent processes in our world. This book will be of great assistance to researchers engaged in both theoretical and experimental aspects of non-covalent bonding and in macro- and supermolecular chemistry.

Ions are ubiquitous in chemical, technological, ecological and biological processes. Characterizing their role in these processes in the first place requires the evaluation of the thermodynamic parameters associated with the solvation of a given ion. However, due to the constraint of electroneutrality, the involvement of surface effects and the ambiguous connection between microscopic and macroscopic descriptions, the determination of single-ion solvation properties via both experimental and theoretical approaches has turned out to be a very difficult and highly controversial problem. This unique book provides an up-to-date, compact and consistent account of the research field of single-ion solvation thermodynamics that has over one hundred years of history and still remains largely unsolved. By reviewing the various approaches employed to date, establishing the relevant connections between single-ion thermodynamics and electrochemistry, resolving conceptual ambiguities, and giving an exhaustive data compilation (in the context of alkali and halide hydration), this book provides a consistent synthesis, in depth understanding and clarification of a large and sometimes very confusing research field. The book is primarily aimed at researchers (professors, postgraduates, graduates, and industrial researchers) concerned with processes involving ionic solvation properties (these are ubiquitous, eg. in physical/organic/analytical chemistry, electrochemistry, biochemistry, pharmacology, geology, and ecology). Because of the concept definitions and data compilations it contains, it is also a useful reference book to have in a university library. Finally, it may be of general interest to anyone wanting to learn more about ions and solvation. Key features: - discusses both experimental and theoretical approaches, and establishes the connection between them - provides both an account of the past research (covering over one hundred years) and a discussion of current directions (in particular on the theoretical side) - involves a comprehensive reference list of over 2000 citations - employs a very consistent notation (including table of symbols and unambiguous definitions of all introduced quantities) - provides a discussion and clarification of ambiguous concepts (ie. concepts that have not been defined clearly, or have been defined differently by different authors, leading to confusion in past literature) - encompasses an exhaustive data compilation (in the restricted context of alkali and halide hydration), along with recommended values (after critical analysis of this literature data) - is illustrated by a number of synoptic colour figures, that will help the reader to grasp the connections between different concepts in one single picture

The book deals with the environmentally friendly cleaning materials functionalized with TiO2, a widely known semiconductor giving rise to redox reactions under artificial or solar irradiation. The role of Titanium dioxide in the worldwide community is introduced first. The fundamental working principles of heterogeneous photocatalysis follow and a critical section on the semiconductor bulk and surface properties open the way to the differences between TiO2 blend features with respect to analogous thin film layouts. Then follows the main section of the book which deals with the techniques applied to manufactured commercial devices, ranging from glasses to textiles and from concrete and other construction materials to paintings. Also road asphalt and other devices, such as photocatalytic air conditioning machines are outlined. Last generation materials, not yet commercialized, and the deposition techniques applied to prepare them are also widely discussed. The final part of the book covers the difficult and modern topic of standardization and comparison of performance of photocatalytic processes and in particular the guidelines proposed by various worldwide organizations for standardization are discussed. The book covers the general matters as well as the practical applications with the supporting methods discussed in detail. This book brings together a team of highly experienced and well-published experts in the field, providing a comprehensive view of the applications of supported titanium dioxide.

Solar photovoltaics is one of the most promising renewable energy technologies, producing electricity on site directly from the solar radiation without harming the environment and depletion of materials. The Building Integrated Photovoltaic Thermal (BIPVT) system is a technology which merges PV and thermal systems, simultaneously providing both electric and thermal energy. Through this combination more energy is generated per unit surface area in comparison to the standalone photovoltaics system. Benefits of the BIPVT system include significantly increased electrical performance, faster payback than traditional systems, negligible impact on the environment and the product is easier and less expensive to install with low maintenance required. This book describes the recent developments in PV technologies, solar radiation available on the earth, various BIPVT systems and their applications, energy and exergy analysis, carbondioxide migration and credit earned, life cycle cost analysis and life cycle conversion efficiency. Presently there is no single book which covers all the basic and the advanced concepts related to the implementation of solar energy for the passive heating and cooling of the building. In addition to the basic concepts, the book includes the technology advances, modelling and analysis and ongoing research in the area of BIPVT. Key features of book include: -Solar heating and cooling concepts -Thermal comfort -Performance analysis of BIPVT system -Worldwide case studies -Energy payback period -Techno-economics and sustainability of the system The book, written by experts in the field with years of research and teaching, is intended for the specialists, scientists and people involved in research in the disciplines of renewable energy, energy studies, building energy or carbon credit. For the practicing professional, advanced senior or graduate student with work experience, the book should be used as part of an integrative program enabling them to make deep linkages and thus better decisions in the professional world.

The breadth of scientific and technological interests in the general topic of photochemistry is truly enormous and includes, for example, such diverse areas as microelectronics, atmospheric chemistry, organic synthesis, non-conventional photoimaging, photosynthesis, solar energy conversion, polymer technologies, and spectroscopy. This Specialist Periodical Report on Photochemistry aims to provide an annual review of photo-induced processes that have relevance to the above wide-ranging academic and commercial disciplines, and interests in chemistry, physics, biology and technology. In order to provide easy access to this vast and varied literature, each volume of Photochemistry comprises sections concerned with photophysical processes in condensed phases, organic aspects which are sub-divided by chromophore type, polymer photochemistry, and photochemical aspects of solar energy conversion. Volume 37 covers literature published from July 2004 to June 2007. Specialist Periodical Reports provide systematic and detailed review coverage in major areas of chemical research. Compiled by teams of leading authorities in the relevant subject areas, the series creates a unique service for the active research chemist, with regular, in-depth accounts of progress in particular fields of chemistry. Subject coverage within different volumes of a given title is similar and publication is on an annual or biennial basis.

Chemical Modelling: Applications and Theory comprises critical literature reviews of molecular modelling, both theoretical and applied. Molecular modelling in this context refers to modelling the structure, properties and reactions of atoms, molecules & materials. Each chapter is compiled by experts in their fields and provides a selective review of recent literature, incorporating sufficient historical perspective for the non-specialist to gain an understanding. With chemical modelling covering such a wide range of subjects, this Specialist Periodical Report serves as the first port of call to any chemist, biochemist, materials scientist or molecular physicist needing to acquaint themselves with major developments in the area. Volume 6 examines the literature published between June 2007 and May 2008

Portable X-ray fluorescence (PXRF) instrumentation has some unique analytical capabilities for the in situ analysis of samples in the field. These capabilities have been extended in recent years by the continuing development of solid state detectors, surface mounted electronics, digital signal processing technology, Li-ion batteries combined with a choice of rugged sealed radioisotope sources or miniature X-ray tubes that provide lightweight hand-held devices. As well as opening up new applications, in situ measurements by PXRF, where the instrument is placed in direct contact with the object to be analysed, involve the complete integration of sampling and analysis. Careful interpretation of results is therefore required, particularly when the analysis is used to estimate the bulk composition of a sample. In this monograph, an overview is given of instrumentation, analytical capabilities, and limitations in the interpretation of results, sampling considerations and applications where PXRF offers substantial advantages over conventional analytical techniques. The aim is to give the reader an insight into the capabilities of the technique and to demonstrate the contribution it can make to a range of areas of contemporary scientific interest. Chapters are written by internationally recognised scientists with practical experience of in situ analysis using portable X-ray fluorescence and demonstrates the wide range of applications for the technique. The topics covered are illustrated with diagrams and photographs where appropriate and each chapter includes supporting references to enable the reader to gain a greater understanding of a particular application. Topics include: -analytical capabilities -instrumentation -quantification -correction procedures -sampling considerations -future developments Applications include: -the assessment of contaminated land -surfaces -coatings and paints -workplace monitoring -metal & alloy sorting -geochemical prospecting -archaeological investigations -museum samples & works of art -extraterrestrial analysis The work is aimed at scientists who have some knowledge of analytical techniques and/or the applications covered, but are not fully familiar with the capabilities of PXRF. It offers a general introduction to the technique and its applications rather than a research monograph. As such, it is aimed at analytical scientists, environmental and geological scientists, industrial hygienists, industrial and plant scientists, archaeometrists and museum researchers, research scientists and research students with projects in the applications covered. Undergraduate students studying associated degree courses will also benefit from the work.

Chemical Modelling: Applications and Theory comprises critical literature reviews of molecular modelling, both theoretical and applied. Molecular modelling in this context refers to modelling the structure, properties and reactions of atoms, molecules & materials. Each chapter is compiled by experts in their fields and provides a selective review of recent literature. With chemical modelling covering such a wide range of subjects, this Specialist Periodical Report serves as the first port of call to any chemist, biochemist, materials scientist or molecular physicist needing to acquaint themselves of major developments in the area. Volume 5 covers literature published from June 2005 to May 2007.

Chemoinformatics is broadly a scientific discipline encompassing the design, creation, organization, management, retrieval, analysis, dissemination, visualization and use of chemical information. It is distinct from other computational molecular modeling approaches in that it uses unique representations of chemical structures in the form of multiple chemical descriptors; has its own metrics for defining similarity and diversity of chemical compound libraries; and applies a wide array of statistical, data mining and machine learning techniques to very large collections of chemical compounds in order to establish robust relationships between chemical structure and its physical or biological properties. Chemoinformatics addresses a broad range of problems in chemistry and biology; however, the most commonly known applications of chemoinformatics approaches have been arguably in the area of drug discovery where chemoinformatics tools have played a central role in the analysis and interpretation of structure-property data collected by the means of modern high throughput screening. Early stages in modern drug discovery often involved screening small molecules for their effects on a selected protein target or a model of a biological pathway. In the past fifteen years, innovative technologies that enable rapid synthesis and high throughput screening of large libraries of compounds have been adopted in almost all major pharmaceutical and biotech companies. As a result, there has been a huge increase in the number of compounds available on a routine basis to quickly screen for novel drug candidates against new targets/pathways. In contrast, such technologies have rarely become available to the academic research community, thus limiting its ability to conduct large scale chemical genetics or chemical genomics research. However, the landscape of publicly available experimental data collection methods for chemoinformatics has changed dramatically in very recent years. The term'virtual screening'is commonly associated with methodologies that rely on the explicit knowledge of three-dimensional structure of the target protein to identify potential bioactive compounds. Traditional docking protocols and scoring functions rely on explicitly defined three dimensional coordinates and standard definitions of atom types of both receptors and ligands. Albeit reasonably accurate in many cases, conventional structure based virtual screening approaches are relatively computationally inefficient, which has precluded them from screening really large compound collections. Significant progress has been achieved over many years of research in developing many structure based virtual screening approaches. This book is the first monograph that summarizes innovative applications of efficient chemoinformatics approaches towards the goal of screening large chemical libraries. The focus on virtual screening expands chemoinformatics beyond its traditional boundaries as a synthetic and data-analytical area of research towards its recognition as a predictive and decision support scientific discipline. The approaches discussed by the contributors to the monograph rely on chemoinformatics concepts such as: -representation of molecules using multiple descriptors of chemical structures -advanced chemical similarity calculations in multidimensional descriptor spaces -the use of advanced machine learning and data mining approaches for building quantitative and predictive structure activity models -the use of chemoinformatics methodologies for the analysis of drug-likeness and property prediction -the emerging trend on combining chemoinformatics and bioinformatics concepts in structure based drug discovery The chapters of the book are organized in a logical flow that a typical chemoinformatics project would follow - from structure representation and comparison to data analysis and model building to applications of structure-property relationship models for hit identificati

Rheology is primarily concerned with materials: scientific, engineering and everyday products whose mechanical behaviour cannot be described using classical theories. From biological to geological systems, the key to understanding the viscous and elastic behaviour firmly rests in the relationship between the interactions between atoms and molecules and how this controls the structure, and ultimately the physical and mechanical properties. Rheology for Chemists An Introduction takes the reader through the range of rheological ideas without the use of the complex mathematics. The book gives particular emphasis on the temporal behaviour and microstructural aspects of materials, and is detailed in scope of reference. An excellent introduction to the newer scientific areas of soft matter and complex fluid research, the second edition also refers to system dimension and the maturing of the instrumentation market. This book is a valuable resource for practitioners working in the field, and offers a comprehensive introduction for graduate and post graduates.'... well-suited for self-study by research workers and technologists, who, confronted with technical problems in this area, would like a straightforward introduction to the subject of rheology.'Chemical Educator,'... full of valuable insights and up-to-date information.'Chemistry World

The breadth of scientific and technological interests in the general topic of photochemistry is truly enormous and includes for example, such diverse areas as microelectronics, atmospheric chemistry, organic synthesis, non-conventional photoimaging, photosynthesis, solar energy conversion, polymer technologies, and spectroscopy. This Specialist Periodical Report on Photochemistry aims to provide an annual review of photo-induced processes that have relevance to the above wide-ranging academic and commercial disciplines, and interests in chemistry, physics, biology and technology. In order to provide easy access to this vast and varied literature, each volume of Photochemistry comprises sections concerned with photophysical processes in condensed phases, organic aspects which are sub-divided by chromophore type, polymer photochemistry, and photochemical aspects of solar energy conversion. Volume 36 covers literature published from July 2003 to June 2004.

This book describes in mathematical terms the extraction of useful information from ESR spectra as applied to paramagnetic organic, inorganic and organometalic molecules. It lays a firm groundwork for understanding more sophisticated experiments, which the availability of newer commercial instruments has made possible. It takes the reader step by step through obtaining and interpretating ESR spectra of paramagnetic molecules. The mathematical basis of each observed phenomena are detailed and examples given. In particular there is a detailed discussion of 2nd order pertubation theory treatment of the Spin Hamiltonian for non-coincident G and A axes.

Chemical Modelling: Applications and Theory comprises critical literature reviews of molecular modelling, both theoretical and applied. Molecular modelling in this context refers to modelling the structure, properties and reactions of atoms, molecules & materials. Each chapter is compiled by experts in their fields and provides a selective review of recent literature. With chemical modelling covering such a wide range of subjects, this Specialist Periodical Report serves as the first port of call to any chemist, biochemist, materials scientist or molecular physicist needing to acquaint themselves of major developments in the area. Specialist Periodical Reports provide systematic and detailed review coverage in major areas of chemical research. Compiled by teams of leading authorities in the relevant subject areas, the series creates a unique service for the active research chemist, with regular, in-depth accounts of progress in particular fields of chemistry. Subject coverage within different volumes of a given title is similar and publication is on an annual or biennial basis. Current subject areas covered are Amino Acids, Peptides and Proteins, Carbohydrate Chemistry, Catalysis, Chemical Modelling. Applications and Theory, Electron Paramagnetic Resonance, Nuclear Magnetic Resonance, Organometallic Chemistry. Organophosphorus Chemistry, Photochemistry and Spectroscopic Properties of Inorganic and Organometallic Compounds. From time to time, the series has altered according to the fluctuating degrees of activity in the various fields, but these volumes remain a superb reference point for researchers.

Molecular Physical Chemistry: A Concise Introduction focuses on two main aspects of physical chemistry: thermodynamics and reaction dynamics. By looking at the properties of the atoms and molecules that constitute matter, it makes use of results from modern experiments conducted on small numbers of molecules. These molecular properties allow the behaviour of larger groups of molecules to be predicted. This is in contrast to conventional approaches which are based upon how the subjects have developed historically. It attempts to show how some basic concepts can be easily applied to give verifiable results in simple systems before extending them to more complicated scenarios. The text is intended as an aid to understanding these central topics of physical chemistry, rather than an introduction to them, and some familiarity with them is assumed throughout. Worked examples and problems are given at the end of each chapter. Molecular Physical Chemistry: A Concise Introduction will be welcomed by graduate and advanced undergraduate students, as well as lecturers. Upon completion of this book the reader will see its subject matter as an integral part of their whole approach to chemistry.'Professor McLauchlin is certainly owed a debt of gratitude by the chemical community for this effort to bring enjoyment and understanding to the future generation. It will be interesting to see if this experiment helps students replace the fear of physical chemistry by an appreciation of its power and beauty.'Professor William Klemperer, University of Harvard

Chemical Modelling: Applications and Theory comprises critical literature reviews of molecular modelling, both theoretical and applied. Molecular modelling in this context refers to modelling the structure, properties and reactions of atoms, molecules & materials. Each chapter is compiled by experts in their fields and provides a selective review of recent literature, incorporating sufficient historical perspective for the non-specialist to gain an understanding. With chemical modelling covering such a wide range of subjects, this Specialist Periodical Report serves as the first port of call to any chemist, biochemist, materials scientist or molecular physicist needing to acquaint themselves with major developments in the area.

Why do molecules adopt particular shapes? What determines the physical and chemical properties of a material? Molecular Modelling and Bonding answers these questions by introducing the ideas behind molecular and quantum mechanics, using a largely non-mathematical approach. Atomic and molecular orbitals, computational chemistry and bonding in solids are also discussed. A Case Study, Molecular Modelling in Drug Design, explores ways in which computer modelling, in conjunction with experimental techniques, is used to design new drugs. The accompanying CD-ROM illustrates applications of molecular and quantum mechanics, and includes many of the structures and orbitals illustrated in the text. It provides the programs necessary to view orbitals and 3D structures. The Molecular World series provides an integrated introduction to all branches of chemistry for both students wishing to specialise and those wishing to gain a broad understanding of chemistry and its relevance to the everyday world and to other areas of science. The books, with their Case Studies and accompanying multi-media interactive CD-ROMs, will also provide valuable resource material for teachers and lecturers. (The CD-ROMs are designed for use on a PC running Windows 95, 98, ME or 2000.)

Coordination chemistry, as we know it today, has been shaped by major figures from the past, one of whom was Joseph Chatt. Beginning with a description of Chatt's career presented by co-workers, contemporaries and students, this fascinating book then goes on to show how many of today's leading practitioners in the field, working in such diverse areas as phosphines, hydrogen complexes, transition metal complexes and nitrogen fixation, have been influenced by Chatt. The reader is then brought right up-to-date with the inclusion of some of the latest research on these topics, all of which serves to underline Chatt's continuing legacy. Intended as a permanent record of Chatt's life, work and influence, this book will be of interest to lecturers, graduate students, researchers and science historians.

Chromic phenomena, or those produced by materials which exhibit colour in response to a chemical or physical stimulus, have increasingly been at the heart of'high-tec'developments in a variety of fields in the last decade. Many of the newer technologies, which are at the cutting edge of research, are multi-disciplinary, involving researchers from areas as diverse as physics, biology, materials science and electronic engineering. Chromic Phenomena covers five main areas: Colour change materials, such as photochromic, thermochromic and electrochromic materials; Materials which absorb and reflect light - the classical dyes and pigments; Luminescent phenomena, including phosphorescence, fluorescence and electroluminescence; Materials which absorb light and transfer energy, eg photosensitisers, infra-red absorbers and laser-addressable compounds; Phenomena involving the manipulation of light by chemicals, such as liquid crystals, lustre pigments, optoelectronics and photonics Providing an entry point both for new researchers and for established ones, this book, with its emphasis on the technological applications of these chromic phenomena, develops and investigates new applications for colour chemistry. It will be of interest to industrialists and professionals in the biological, medicinal, electronics/telecommunications and colorant industries, as well as academics in these fields.

Through the ages, water has been the inspiration of poets, painters, composers and philosophers. Today however, water is perceived as a commodity, with little thought for its role in influencing chemical reactions and shaping our terrestrial environment to make it fit for life. Water 2nd Edition is an update and extension of the RSC paperback first published in 1983. This book discusses current scientific knowledge of water: its remarkable properties, its influence on dissolved substances and its usually neglected but controlling role in the life sciences and ecology. With emphasis on developments over the last two decades, attention is drawn to important issues such as water quality, usage, economics and politics.

'Rheology is an integral part of life, from decorative paint and movement of volcanic lava to the flow of blood in our veins. This book describes, without the use of complex mathematics, how atoms and molecules interact to control the handling properties of materials ranging from simple ionic crystals through polymers to colloidal dispersions. Beginning with an introduction to essential terminology, Rheology for Chemists goes on to discuss limiting behaviour, temporal behaviour and non-linear behaviour. Throughout, examples of everyday experiments are provided to illustrate the theory, which increases in complexity with each discrete chapter. Ideas are developed in a systematic fashion so that the mechanisms responsible for the elastic, viscous or viscoelastic behaviour of systems are understood. The text thus progresses in a manner that makes it an ideal introduction to rheology for any scientist who needs to use the ideas to modify systems. Comprehensive and unique in approach, this book will provide the necessary introduction to rheology for many undergraduates and graduates, as well as being valuable for laboratory and industrial staff requiring an introduction to this fascinating subject.'

Specialist Periodical Reports provide systematic and detailed review coverage of progress in the major areas of chemical research. Written by experts in their specialist fields the series creates a unique service for the active research chemist, supplying regular critical in-depth accounts of progress in particular areas of chemistry. For over 80 years the Royal Society of Chemistry and its predecessor, the Chemical Society, have been publishing reports charting developments in chemistry, which originally took the form of Annual Reports. However, by 1967 the whole spectrum of chemistry could no longer be contained within one volume and the series Specialist Periodical Reports was born. The Annual Reports themselves still existed but were divided into two, and subsequently three, volumes covering Inorganic, Organic and Physical Chemistry. For more general coverage of the highlights in chemistry they remain a'must'. Since that time the SPR series has altered according to the fluctuating degree of activity in various fields of chemistry. Some titles have remained unchanged, while others have altered their emphasis along with their titles; some have been combined under a new name whereas others have had to be discontinued.

Specialist Periodical Reports provide systematic and detailed review coverage of progress in the major areas of chemical research. Written by experts in their specialist fields the series creates a unique service for the active research chemist, supplying regular critical in-depth accounts of progress in particular areas of chemistry. For over 80 years the Royal Society of Chemistry and its predecessor, the Chemical Society, have been publishing reports charting developments in chemistry, which originally took the form of Annual Reports. However, by 1967 the whole spectrum of chemistry could no longer be contained within one volume and the series Specialist Periodical Reports was born. The Annual Reports themselves still existed but were divided into two, and subsequently three, volumes covering Inorganic, Organic and Physical Chemistry. For more general coverage of the highlights in chemistry they remain a'must'. Since that time the SPR series has altered according to the fluctuating degree of activity in various fields of chemistry. Some titles have remained unchanged, while others have altered their emphasis along with their titles; some have been combined under a new name whereas others have had to be discontinued. The current list of Specialist Periodical Reports can be seen on the inside flap of this volume.

Specialist Periodical Reports provide systematic and detailed review coverage of progress in the major areas of chemical research. Written by experts in their specialist fields the series creates a unique service for the active research chemist, supplying regular critical in-depth accounts of progress in particular areas of chemistry. For over 80 years the Royal Society of Chemistry and its predecessor, the Chemical Society, have been publishing reports charting developments in chemistry, which originally took the form of Annual Reports. However, by 1967 the whole spectrum of chemistry could no longer be contained within one volume and the series Specialist Periodical Reports was born. The Annual Reports themselves still existed but were divided into two, and subsequently three, volumes covering Inorganic, Organic and Physical Chemistry. For more general coverage of the highlights in chemistry they remain a'must'. Since that time the SPR series has altered according to the fluctuating degree of activity in various fields of chemistry. Some titles have remained unchanged, while others have altered their emphasis along with their titles; some have been combined under a new name whereas others have had to be discontinued. The current list of Specialist Periodical Reports can be seen on the inside flap of this volume.

Specialist Periodical Reports provide systematic and detailed review coverage of progress in the major areas of chemical research. Written by experts in their specialist fields the series creates a unique service for the active research chemist, supplying regular critical in-depth accounts of progress in particular areas of chemistry. For over 80 years the Royal Society of Chemistry and its predecessor, the Chemical Society, have been publishing reports charting developments in chemistry, which originally took the form of Annual Reports. However, by 1967 the whole spectrum of chemistry could no longer be contained within one volume and the series Specialist Periodical Reports was born. The Annual Reports themselves still existed but were divided into two, and subsequently three, volumes covering Inorganic, Organic and Physical Chemistry. For more general coverage of the highlights in chemistry they remain a'must'. Since that time the SPR series has altered according to the fluctuating degree of activity in various fields of chemistry. Some titles have remained unchanged, while others have altered their emphasis along with their titles; some have been combined under a new name whereas others have had to be discontinued. The current list of Specialist Periodical Reports can be seen on the inside flap of this volume.